Sensitivity of structural and electronic properties of Li-ion battery cathode materials to Hubbard U correction: an efficient first-principle approach

被引：0

作者：

Ziraki, Sahar ^{[1
]}

Moaddeli, Mohammad ^{[1
]}

Kanani, Mansour ^{[1
]}

Hashemi, Babak ^{[1
]}

机构：

[1] Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz, Iran

来源：

Physica Scripta | 2022年 / 97卷 / 12期

关键词：

Cell-size - Chemical compositions - Density-functional perturbation theory - Density-functional-theory - Doping sites - Hubbard - Hubbard U correction - Li-ion battery cathode - Size structure - Systems parameters;

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